2-(3-methyl-4-nitro-phenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(3-methyl-4-nitro-phenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Openeye Name: 2-(3-methyl-4-nitro-phenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone CAS Name: 2-(3-methyl-4-nitrophenoxy)-1-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-methyl-4-nitrophenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Traditional Name: 2-(3-methyl-4-nitro-phenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazino]ethanone Formula: C20H20F3N3O4 MolecularWeight: 423.38571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20F3N3O4/c1-14-11-17(5-6-18(14)26(28)29)30-13-19(27)25-9-7-24(8-10-25)16-4-2-3-15(12-16)20(21,22)23/h2-6,11-12H,7-10,13H2,1H3